4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole

C22H18N2O3S — CID 1483452

IUPAC4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-19-14-12-17(13-15-19)22-21(28(25,26)20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyXDBWKMIEQBYKDT-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.38
Rot. Bonds5

About 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole

4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 1483452) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID1483452
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-19-14-12-17(13-15-19)22-21(28(25,26)20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyXDBWKMIEQBYKDT-UHFFFAOYSA-N
XLogP4.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole (CID 1483452) is 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole is COc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is XDBWKMIEQBYKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-27-19-14-12-17(13-15-19)22-21(28(25,26)20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole?
4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 390.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 1483452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).